SCHEMBL3201732

SCHEMBL3201732

Cc1ccc(NC(=O)Nc2cccc(CN3CCN(C(=O)OCCN(C)C(=O)OC(C)C)CC3)c2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 1/20 0.38
DHODH Q02127 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
MAPK10 P53779 6/20 0.36
MAPK8 P45983 5/20 0.36
LMNA P02545 3/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
MAPT P10636 1/20 0.34
MPI P34949 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3209399 0.93 RORC (0.40) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3190879 0.92 RORC (0.39) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3201740 0.91 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3207781 0.90 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3201294 0.90 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3206363 0.89 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3196568 0.87 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3210267 0.87 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3199927 0.86 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL402588 0.85 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2RORCDHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US claimed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 US disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 NPC1 4691/4885RAB9A 3170/4885SMN1; SMN2 1596/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 NPC1 4691/4885RAB9A 3170/4885SMN1; SMN2 1596/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 NPC1 4691/4885RAB9A 3170/4885SMN1; SMN2 1596/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.